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| Author | Peelaers, H.; Partoens, B.; Peeters, F.M. | ||||
| Title | Free-standing Si and Ge, and Ge/Si core-shell semiconductor nanowires | Type | A1 Journal article | ||
| Year | 2012 | Publication | Acta physica Polonica: A: general physics, solid state physics, applied physics T2 – WELCOME Scientific Meeting on Hybrid Nanostructures, AUG 28-31, 2011, Torun, POLAND | Abbreviated Journal | Acta Phys Pol A |
| Volume | 122 | Issue | 2 | Pages | 294-298 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The properties of free-standing silicon and germanium nanowires oriented along the [110] direction are studied using different first principles methods. We show the corrections due to quasi-particles to the band structures obtained using the local-density approximation. The formation energies of B and P doped nanowires are calculated, both in the absence and presence of dangling bond defects and we link these to experimental results. Furthermore, we report on the phonon properties of pure Si and Ge nanowires, as well as Ge/Si core-shell nanowires, and discuss the differences between them. | ||||
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| Publisher | Place of Publication | Warszawa | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0587-4246 | ISBN | Additional Links | UA library record; WoS full record; | |
| Impact Factor | 0.469 | Times cited | Open Access | ||
| Notes | Approved  |
Most recent IF: 0.469; 2012 IF: 0.531 | |||
| Call Number | UA @ lucian @ c:irua:101896 | Serial | 1277 | ||
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| Author | Castelano, L.K.; Hai, G.Q.; Partoens, B.; Peeters, F.M. | ||||
| Title | Two vertically coupled quantum rings with tunneling | Type | A1 Journal article | ||
| Year | 2006 | Publication | Brazilian journal of physics | Abbreviated Journal | Braz J Phys |
| Volume | 36 | Issue | 3b | Pages | 936-939 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Publisher | Place of Publication | São Paulo | Editor | ||
| Language | Wos | 000242535600036 | Publication Date | 2006-12-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0103-9733; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 0.732 | Times cited | 2 | Open Access | |
| Notes | Approved |
Most recent IF: 0.732; 2006 IF: 0.494 | |||
| Call Number | UA @ lucian @ c:irua:62133 | Serial | 3788 | ||
| Permanent link to this record | |||||
| Author | Kong, M.; Ferreira, W.P.; Partoens, B.; Peeters, F.M. | ||||
| Title | Magnetic field dependence of the normal mode spectrum of a planar complex plasma cluster | Type | A1 Journal article | ||
| Year | 2004 | Publication | IEEE transactions on plasma science | Abbreviated Journal | Ieee T Plasma Sci |
| Volume | 32 | Issue | 2,2 | Pages | 569-572 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | New York, N.Y. | Editor | ||
| Language | Wos | 000222278400007 | Publication Date | 2004-06-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0093-3813; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.052 | Times cited | 4 | Open Access | |
| Notes | Approved |
Most recent IF: 1.052; 2004 IF: 1.042 | |||
| Call Number | UA @ lucian @ c:irua:62453 | Serial | 1871 | ||
| Permanent link to this record | |||||
| Author | Janssens, K.L.; Partoens, B.; Peeters, F.M. | ||||
| Title | Type II quantum dots in magnetic fields: excitonic behaviour | Type | A1 Journal article | ||
| Year | 2003 | Publication | Microelectronics journal | Abbreviated Journal | Microelectron J |
| Volume | 34 | Issue | Pages | 347-350 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Luton | Editor | ||
| Language | Wos | 000183607400007 | Publication Date | 2003-04-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0026-2692; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.163 | Times cited | 1 | Open Access | |
| Notes | Approved |
Most recent IF: 1.163; 2003 IF: 0.565 | |||
| Call Number | UA @ lucian @ c:irua:62450 | Serial | 3790 | ||
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| Author | Leenaerts, O.; Partoens, B.; Peeters, F.M. | ||||
| Title | Adsorption of small molecules on graphene | Type | A1 Journal article | ||
| Year | 2009 | Publication | Microelectronics journal | Abbreviated Journal | Microelectron J |
| Volume | 40 | Issue | 4/5 | Pages | 860-862 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Luton | Editor | ||
| Language | Wos | 000265870200058 | Publication Date | 2008-12-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0026-2692; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.163 | Times cited | 116 | Open Access | |
| Notes | Approved |
Most recent IF: 1.163; 2009 IF: 0.778 | |||
| Call Number | UA @ lucian @ c:irua:77030 | Serial | 65 | ||
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| Author | Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W. | ||||
| Title | Dielectric mismatch effect on coupled impurity states in a freestanding nanowire | Type | A1 Journal article | ||
| Year | 2009 | Publication | Microelectronics journal | Abbreviated Journal | Microelectron J |
| Volume | 40 | Issue | 3 | Pages | 446-448 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity. | ||||
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| Publisher | Place of Publication | Luton | Editor | ||
| Language | Wos | 000264694700017 | Publication Date | 2008-07-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0026-2692; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.163 | Times cited | 4 | Open Access | |
| Notes | Approved |
Most recent IF: 1.163; 2009 IF: 0.778 | |||
| Call Number | UA @ lucian @ c:irua:76410 | Serial | 690 | ||
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| Author | Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. | ||||
| Title | Neutral shallow donors near a metallic interface | Type | A1 Journal article | ||
| Year | 2009 | Publication | Microelectronics journal | Abbreviated Journal | Microelectron J |
| Volume | 40 | Issue | 4/5 | Pages | 753-755 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The effect of a metallic gate on the bound states of a shallow donor located near the gate is studied. We calculate the energy spectrum as a function of the distance between the metallic gate and the donor and find an anti-crossing behavior in the energy levels for certain distances. We show how a transverse electric field can tune the average position of the electron with respect to the metallic gate and the impurity. | ||||
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| Publisher | Place of Publication | Luton | Editor | ||
| Language | Wos | 000265870200024 | Publication Date | 2009-02-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0026-2692; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.163 | Times cited | 1 | Open Access | |
| Notes | Approved |
Most recent IF: 1.163; 2009 IF: 0.778 | |||
| Call Number | UA @ lucian @ c:irua:77029 | Serial | 2296 | ||
| Permanent link to this record | |||||
| Author | Janssens, K.L.; Peeters, F.M.; Schweigert, V.A.; Partoens, B. | ||||
| Title | Magnetic field dependence of the xciton energy in type I and type II quantum disks | Type | A1 Journal article | ||
| Year | 2001 | Publication | Physica: B : condensed matter | Abbreviated Journal | Physica B |
| Volume | 298 | Issue | Pages | 277-281 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000168992800057 | Publication Date | 2002-07-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0921-4526; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.386 | Times cited | 4 | Open Access | |
| Notes | Approved |
Most recent IF: 1.386; 2001 IF: 0.663 | |||
| Call Number | UA @ lucian @ c:irua:34351 | Serial | 1873 | ||
| Permanent link to this record | |||||
| Author | Partoens, B.; Peeters, F.M. | ||||
| Title | Two vertically coupled quantum dots in a magnetic field | Type | A1 Journal article | ||
| Year | 2001 | Publication | Physica: B : condensed matter | Abbreviated Journal | Physica B |
| Volume | 298 | Issue | Pages | 282-286 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000168992800058 | Publication Date | 2002-07-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0921-4526; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.386 | Times cited | 8 | Open Access | |
| Notes | Approved |
Most recent IF: 1.386; 2001 IF: 0.663 | |||
| Call Number | UA @ lucian @ c:irua:34350 | Serial | 3787 | ||
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| Author | Slachmuylders, A.; Partoens, B.; Magnus, W.; Peeters, F.M. | ||||
| Title | The effect of dielectric mismatch on excitons and trions in cylindrical semiconductor nanowires | Type | A1 Journal article | ||
| Year | 2008 | Publication | Journal of computational electronics | Abbreviated Journal | J Comput Electron |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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| Publisher | Place of Publication | S.l. | Editor | ||
| Language | Wos | 000208473800066 | Publication Date | 2008-02-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1569-8025;1572-8137; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.526 | Times cited | 2 | Open Access | |
| Notes | Approved |
Most recent IF: 1.526; 2008 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:69620 | Serial | 808 | ||
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| Author | Govaerts, K.; Partoens, B.; Lamoen, D. | ||||
| Title | Extended homologous series of Sn–O layered systems: A first-principles study | Type | A1 Journal article | ||
| Year | 2016 | Publication | Solid state communications | Abbreviated Journal | Solid State Commun |
| Volume | 243 | Issue | 243 | Pages | 36-43 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Apart from the most studied tin-oxide compounds, SnO and SnO2, intermediate states have been claimed to exist for more than a hundred years. In addition to the known homologous series (Seko et al., Phys. Rev. Lett. 100, 045702 (2008)), we here predict the existence of several new compounds with an O concentration between 50 % (SnO) and 67 % (SnO2). All these intermediate compounds are constructed from removing one or more (101) oxygen layers of SnO2. Since the van der Waals (vdW) interaction is known to be important for the Sn-Sn interlayer distances, we use a vdW-corrected functional, and compare these results with results obtained with PBE and hybrid functionals. We present the electronic properties of the intermediate structures and we observe a decrease of the band gap when (i) the O concentration increases and (ii) more SnO-like units are present for a given concentration. The contribution of the different atoms to the valence and conduction band is also investigated. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000381544200007 | Publication Date | 2016-06-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0038-1098 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.554 | Times cited | 10 | Open Access | |
| Notes | We gratefully acknowledge financial support from a GOA fund of the University of Antwerp. K.G. thanks the University of Antwerp for a PhD fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government – department EWI. | Approved |
Most recent IF: 1.554 | ||
| Call Number | c:irua:134037 | Serial | 4085 | ||
| Permanent link to this record | |||||
| Author | Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. | ||||
| Title | First-principles study of defects at Σ3 grain boundaries in CuGaSe2 | Type | A1 Journal article | ||
| Year | 2021 | Publication | Solid State Communications | Abbreviated Journal | Solid State Commun |
| Volume | Issue | Pages | 114263 | ||
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) | ||||
| Abstract | We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors. | ||||
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| Language | Wos | 000652668500013 | Publication Date | 2021-03-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0038-1098 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.554 | Times cited | 1 | Open Access | OpenAccess |
| Notes | Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. | Approved |
Most recent IF: 1.554 | ||
| Call Number | EMAT @ emat @c:irua:176544 | Serial | 6703 | ||
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| Author | Bercx, M.; Mayda, S.; Depla, D.; Partoens, B.; Lamoen, D. | ||||
| Title | Plasmonic effects in the neutralization of slow ions at a metallic surface | Type | A1 Journal Article | ||
| Year | 2023 | Publication | Contributions to Plasma Physics | Abbreviated Journal | Contrib. Plasma Phys |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Secondary electron emission is an important process that plays a significant role in several plasma‐related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliable yield data is critical as input for higher‐scale simulations. Here, we build upon our previous work combining density functional theory calculations with a model originally developed by Hagstrum to extend its application to metallic surfaces. As plasmonic effects play a much more important role in the secondary electron emission mechanism for metals, we introduce an approach based on Poisson point processes to include both surface and bulk plasmon excitations to the process. The resulting model is able to reproduce the yield spectra of several available experimental results quite well but requires the introduction of global fitting parameters, which describe the strength of the plasmon interactions. Finally, we use an in‐house developed workflow to calculate the electron yield for a list of elemental surfaces spanning the periodic table to produce an extensive data set for the community and compare our results with more simplified approaches from the literature. | ||||
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| Language | Wos | 001067651300001 | Publication Date | 2023-09-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0863-1042 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.6 | Times cited | Open Access | Not_Open_Access | |
| Notes | We acknowledge the financial support of FWO-Vlaanderen through project G.0216.14N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. | Approved |
Most recent IF: 1.6; 2023 IF: 1.44 | ||
| Call Number | EMAT @ emat @c:irua:200330 | Serial | 8962 | ||
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| Author | Vansweevelt, R.; Mortet, V.; D' Haen, J.; Ruttens, bart; van Haesendonck, C.; Partoens, B.; Peeters, F.M.; Wagner, P. | ||||
| Title | Study on the giant positive magnetoresistance and Hall effect in ultrathin graphite flakes | Type | A1 Journal article | ||
| Year | 2011 | Publication | Physica status solidi : A : applications and materials science | Abbreviated Journal | Phys Status Solidi A |
| Volume | 208 | Issue | 6 | Pages | 1252-1258 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | In this paper, we report on the electronic transport properties of mesoscopic, ultrathin graphite flakes with a thickness corresponding to a stack of 150 graphene layers. The graphite flakes show an unexpectedly strong positive magnetoresistance (PMR) already at room temperature, which scales in good approximation with the square of the magnetic field. Furthermore, we show that the resistivity is unaffected by magnetic fields oriented in plane with the graphene layers. Hall effect measurements indicate that the charge carriers are p-type and their concentration increases with increasing temperature while the mobility is decreasing. The Hall voltage is non-linear in higher magnetic fields. Possible origins of the observed effects are discussed. Ball and stick model of the two topmost carbon layers of the hexagonal graphite structure. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000292945800008 | Publication Date | 2011-02-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1862-6300; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.775 | Times cited | 8 | Open Access | |
| Notes | ; The authors gratefully acknowledge the support by FWO – Research Foundation Flanders (project G.0159.07 “Structural and electronic properties of biologically modified, graphene-based layers”), by the Federal Belgian Interuniversity Attraction Poles Programme BELSPO (project TAP VI P6/42 “Quantum effects in clusters and nanowires”) and by the Methusalem network “NANO – Antwerp-Hasselt,” funded by the Flemish Community. Technical assistance by Stoffel D. Janssens (magnet calibration and software development), Dr. Hong Yin (AFM-based thickness studies), Dr. Ronald Thoelen (data analysis), and Prof. Hans-Gerd Boyen (XPS spectroscopy) is greatly appreciated. ; | Approved |
Most recent IF: 1.775; 2011 IF: 1.463 | ||
| Call Number | UA @ lucian @ c:irua:91941 | Serial | 3343 | ||
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| Author | Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C. | ||||
| Title | The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes | Type | A1 Journal article | ||
| Year | 2017 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
| Volume | 687 | Issue | Pages | 188-193 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000412453700030 | Publication Date | 2017-09-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0009-2614 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.815 | Times cited | 2 | Open Access | Not_Open_Access: Available from 01.11.2019 |
| Notes | ; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ; | Approved |
Most recent IF: 1.815 | ||
| Call Number | UA @ lucian @ c:irua:146646 | Serial | 4795 | ||
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| Author | de Backer, J.W.; Vos, W.G.; Gorlé, C.D.; Germonpré, P.; Partoens, B.; Wuyts, F.L.; Parizel, P.M.; de Backer, W. | ||||
| Title | Flow analyses in the lower airways: patient-specific model and boundary conditions | Type | A1 Journal article | ||
| Year | 2008 | Publication | Medical engineering and physics | Abbreviated Journal | Med Eng Phys |
| Volume | 30 | Issue | 7 | Pages | 872-879 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP) | ||||
| Abstract | Computational fluid dynamics (CFD) is increasingly applied in the respiratory domain. The ability to simulate the flow through a bifurcating tubular system has increased the insight into the internal flow dynamics and the particular characteristics of respiratory flows such as secondary motions and inertial effects. The next step in the evolution is to apply the technique to patient-specific cases, in order to provide more information about pathological airways. This study presents a patient-specific approach where both the geometry and the boundary conditions (BC) are based on individual imaging methods using computed tomography (CT). The internal flow distribution of a 73-year-old female suffering from chronic obstructive pulmonary disease (COPD) is assessed. The validation is performed through the comparison of lung ventilation with gamma scintigraphy. The results show that in order to obtain agreement within the accuracy limits of the gamma scintigraphy scan, both the patient-specific geometry and the BC (driving pressure) play a crucial role. A minimal invasive test (CT scan) supplied enough information to perform an accurate CFD analysis. In the end it was possible to capture the pathological features of the respiratory system using the imaging and computational fluid dynamics techniques. This brings the introduction of this new technique in the clinical practice one step closer. | ||||
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| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000259768300009 | Publication Date | 2007-12-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1350-4533; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.819 | Times cited | 82 | Open Access | |
| Notes | Approved |
Most recent IF: 1.819; 2008 IF: 2.216 | |||
| Call Number | UA @ lucian @ c:irua:71693 | Serial | 1224 | ||
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| Author | Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. | ||||
| Title | Adsorption and desorption in confined geometries : a discrete hopping model | Type | A1 Journal article | ||
| Year | 2014 | Publication | The European physical journal. Special topics | Abbreviated Journal | Eur Phys J-Spec Top |
| Volume | 223 | Issue | 14 | Pages | 3243-3256 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We study the adsorption and desorption kinetics of interacting particles moving on a one-dimensional lattice. Confinement is introduced by limiting the number of particles on a lattice site. Adsorption and desorption are found to proceed at different rates, and are strongly influenced by the concentration-dependent transport diffusion. Analytical solutions for the transport and self-diffusion are given for systems of length 1 and 2 and for a zero-range process. In the last situation the self- and transport diffusion can be calculated analytically for any length. | ||||
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| Language | Wos | 000346416400015 | Publication Date | 2014-12-15 | |
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| ISSN | 1951-6355;1951-6401; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.862 | Times cited | 4 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government – department EWI. ; | Approved |
Most recent IF: 1.862; 2014 IF: 1.399 | ||
| Call Number | UA @ lucian @ c:irua:122779 | Serial | 61 | ||
| Permanent link to this record | |||||
| Author | Partoens, B.; Peeters, F.M. | ||||
| Title | Magnetic field induced spin and isospin blockade in two vertically coupled quantum dots | Type | A1 Journal article | ||
| Year | 2001 | Publication | Europhysics letters | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 56 | Issue | Pages | 86-91 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000171459800014 | Publication Date | 2003-12-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 25 | Open Access | |
| Notes | Approved |
Most recent IF: 1.957; 2001 IF: 2.256 | |||
| Call Number | UA @ lucian @ c:irua:37306 | Serial | 1877 | ||
| Permanent link to this record | |||||
| Author | Nelissen, K.; Partoens, B.; Schweigert, I.; Peeters, F.M. | ||||
| Title | Induced order and re-entrant melting in classical two-dimensional binary clusters | Type | A1 Journal article | ||
| Year | 2006 | Publication | Europhysics letters | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 74 | Issue | 6 | Pages | 1046-1052 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000238029600017 | Publication Date | 2006-05-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 17 | Open Access | |
| Notes | Approved |
Most recent IF: 1.957; 2006 IF: 2.229 | |||
| Call Number | UA @ lucian @ c:irua:59453 | Serial | 1602 | ||
| Permanent link to this record | |||||
| Author | Nelissen, K.; Partoens, B.; Peeters, F.M. | ||||
| Title | Dynamics of topological defects and the effects of the cooling rate on finite-size two-dimensional screened Coulomb clusters | Type | A1 Journal article | ||
| Year | 2007 | Publication | Europhysics letters | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 79 | Issue | 6 | Pages | 66001,1-5 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000250409500013 | Publication Date | 2007-08-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 9 | Open Access | |
| Notes | Approved |
Most recent IF: 1.957; 2007 IF: 2.206 | |||
| Call Number | UA @ lucian @ c:irua:66690 | Serial | 785 | ||
| Permanent link to this record | |||||
| Author | Nelissen, K.; Partoens, B.; van den Broeck, C. | ||||
| Title | Work and dissipation in 2D clusters | Type | A1 Journal article | ||
| Year | 2009 | Publication | Europhysics letters | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 88 | Issue | 3 | Pages | 30001-30001,6 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We show by extensive numerical simulations, that far-from-equilibrium experiments on dusty plasmas and on dipole particles in a circular cavity are good candidates for the verification of the Jarzynski equality, the Crooks relation and, to a lesser extent, of the recently obtained microscopic expression for the dissipated work. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000271961400001 | Publication Date | 2009-11-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 2 | Open Access | |
| Notes | Approved |
Most recent IF: 1.957; 2009 IF: 2.893 | |||
| Call Number | UA @ lucian @ c:irua:86925 | Serial | 3922 | ||
| Permanent link to this record | |||||
| Author | Van Boxem, R.; Verbeeck, J.; Partoens, B. | ||||
| Title | Spin effects in electron vortex states | Type | A1 Journal article | ||
| Year | 2013 | Publication | Europhysics letters | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 102 | Issue | 4 | Pages | 40010-40016 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | The recent experimental realization of electron vortex beams opens up a wide research domain previously unexplored. The present paper explores the relativistic properties of these electron vortex beams, and quantifies deviations from the scalar wave theory. It is common in electron optics to use the Schrodinger equation neglecting spin. The present paper investigates the role of spin and the total angular momentum J(z) and how it pertains to the vortex states. As an application, we also investigate if it is possible to use holographic reconstruction to create novel total angular momentum eigenstates in a transmission electron microscope. It is demonstrated that relativistic spin coupling effects disappear in the paraxial limit, and spin effects in holographically created electron vortex beams can only be exploited by using specialized magnetic apertures. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000321118600011 | Publication Date | 2013-06-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075;1286-4854; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 11 | Open Access | |
| Notes | 312483 Esteem2; N246791 Countatoms; 278510 Vortex; esteem2jra1; esteem2jra3 ECASJO_; | Approved |
Most recent IF: 1.957; 2013 IF: 2.269 | ||
| Call Number | UA @ lucian @ c:irua:109852 | Serial | 3087 | ||
| Permanent link to this record | |||||
| Author | Bekaert, J.; Khestanova, E.; Hopkinson, D.G.; Birkbeck, J.; Clark, N.; Zhu, M.; Bandurin, D.A.; Gorbachev, R.; Fairclough, S.; Zou, Y.; Hamer, M.; Terry, D.J.; Peters, J.J.P.; Sanchez, A.M.; Partoens, B.; Haigh, S.J.; Milošević, M.V.; Grigorieva, I., V | ||||
| Title | Enhanced superconductivity in few-layer TaS₂ due to healing by oxygenation | Type | A1 Journal article | ||
| Year | 2020 | Publication | Nano Letters | Abbreviated Journal | Nano Lett |
| Volume | 20 | Issue | 5 | Pages | 3808-3818 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | When approaching the atomically thin limit, defects and disorder play an increasingly important role in the properties of two-dimensional (2D) materials. While defects are generally thought to negatively affect superconductivity in 2D materials, here we demonstrate the contrary in the case of oxygenation of ultrathin tantalum disulfide (TaS2). Our first-principles calculations show that incorporation of oxygen into the TaS2 crystal lattice is energetically favorable and effectively heals sulfur vacancies typically present in these crystals, thus restoring the electronic band structure and the carrier density to the intrinsic characteristics of TaS2. Strikingly, this leads to a strong enhancement of the electron-phonon coupling, by up to 80% in the highly oxygenated limit. Using transport measurements on fresh and aged (oxygenated) few-layer TaS2, we found a marked increase of the superconducting critical temperature (T-c) upon aging, in agreement with our theory, while concurrent electron microscopy and electron-energy loss spectroscopy confirmed the presence of sulfur vacancies in freshly prepared TaS2 and incorporation of oxygen into the crystal lattice with time. Our work thus reveals the mechanism by which certain atomic-scale defects can be beneficial to superconductivity and opens a new route to engineer T-c in ultrathin materials. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000535255300114 | Publication Date | 2020-04-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.8 | Times cited | 16 | Open Access | |
| Notes | ; This work was supported by Research Foundation-Flanders (FWO). J.Be. acknowledges support of a postdoctoral fellowship of the FWO. The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government-department EWI. S.J.H., D.H., and S.F. would like to thank the Engineering and Physical Sciences Research Council (EPSRC) U.K (grants EP/R031711/1, EP/P009050/1 and the Graphene NOWNANO CDT) and the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement ERC-2016-STG-EvoluTEM-715502, the Hetero2D Synergy grant and EC-FET Graphene Flagship) for funding. We thank Diamond Light Source for access and support in use of the electron Physical Science Imaging Centre (Instrument E02 and proposal numbers EM19315 and MG21597) that contributed to the results presented here. ; | Approved |
Most recent IF: 10.8; 2020 IF: 12.712 | ||
| Call Number | UA @ admin @ c:irua:170264 | Serial | 6507 | ||
| Permanent link to this record | |||||
| Author | Willhammar, T.; Sentosun, K.; Mourdikoudis, S.; Goris, B.; Kurttepeli, M.; Bercx, M.; Lamoen, D.; Partoens, B.; Pastoriza-Santos, I.; Pérez-Juste, J.; Liz-Marzán, L.M.; Bals, S.; Van Tendeloo, G. | ||||
| Title | Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared | Type | A1 Journal article | ||
| Year | 2017 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 8 | Issue | 8 | Pages | 14925 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Copper chalcogenides find applications in different domains including photonics, photothermal therapy and photovoltaics. CuTe nanocrystals have been proposed as an alternative to noble metal particles for plasmonics. Although it is known that deviations from stoichiometry are a prerequisite for plasmonic activity in the near-infrared, an accurate description of the material and its (optical) properties is hindered by an insufficient understanding of the atomic structure and the influence of defects, especially for materials in their nanocrystalline form. We demonstrate that the structure of Cu1.5±xTe nanocrystals canbe determined using electron diffraction tomography. Real-space high-resolution electron tomography directly reveals the three-dimensional distribution of vacancies in the structure. Through first-principles density functional theory, we furthermore demonstrate that the influence of these vacancies on the optical properties of the nanocrystals is determined. Since our methodology is applicable to a variety of crystalline nanostructured materials, it is expected to provide unique insights concerning structure–property correlations. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000397799700001 | Publication Date | 2017-03-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 37 | Open Access | OpenAccess |
| Notes | The work was financially supported by the European Research Council through an ERC Starting Grant (#335078-COLOURATOMS). T.W. acknowledges the Swedish Research Council for an international postdoc grant. We acknowledge financial support of FWO-Vlaanderen through project G.0216.14N, G.0369.15N and a postdoctoral research grant to B.G. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government–Department EWI. The work was further supported by the Spanish MINECO (MAT2013-45168-R). S.M. thanks the Action ooSupporting Postdoctoral Researchers44 of the Operational Program ‘Education and Lifelong Learning’ (Action’s Beneficiary: General Secretariat for Research and Technology of Greece), which was co-financed by the European Social Fund (ESF) and the Greek State. (ROMEO:green; preprint:; postprint:can ; pdfversion:can); ECAS_Sara | Approved |
Most recent IF: 12.124 | ||
| Call Number | EMAT @ emat @ c:irua:142203UA @ admin @ c:irua:142203 | Serial | 4538 | ||
| Permanent link to this record | |||||
| Author | Chirayath, V.A.; Callewaert, V.; Fairchild, A.J.; Chrysler, M.D.; Gladen, R.W.; Mcdonald, A.D.; Imam, S.K.; Shastry, K.; Koymen, A.R.; Saniz, R.; Barbiellini, B.; Rajeshwar, K.; Partoens, B.; Weiss, A.H. | ||||
| Title | Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation | Type | A1 Journal article | ||
| Year | 2017 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 8 | Issue | 8 | Pages | 16116 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000405398200001 | Publication Date | 2017-07-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 20 | Open Access | |
| Notes | The experiments in this work were supported by the grant NSF DMR 1508719. A.H.W and A.R.K. gratefully acknowledge support for the building of advanced positron beam through the grant NSF DMR MRI 1338130. V.C. and R.S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. The computational resources and services used in this work were in part provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government (EWI Department). The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. | Approved |
Most recent IF: 12.124 | ||
| Call Number | CMT @ cmt @ c:irua:144625 | Serial | 4627 | ||
| Permanent link to this record | |||||
| Author | Bals, S.; Van Aert, S.; Romero, C.P.; Lauwaet, K.; Van Bael, M.J.; Schoeters, B.; Partoens, B.; Yuecelen, E.; Lievens, P.; Van Tendeloo, G. | ||||
| Title | Atomic scale dynamics of ultrasmall germanium clusters | Type | A1 Journal article | ||
| Year | 2012 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 3 | Issue | 897 | Pages | 897 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Starting from the gas phase, small clusters can be produced and deposited with huge flexibility with regard to composition, materials choice and cluster size. Despite many advances in experimental characterization, a detailed morphology of such clusters is still lacking. Here we present an atomic scale observation as well as the dynamical behaviour of ultrasmall germanium clusters. Using quantitative scanning transmission electron microscopy in combination with ab initio calculations, we are able to characterize the transition between different equilibrium geometries of a germanium cluster consisting of less than 25 atoms. Seven-membered rings, trigonal prisms and some smaller subunits are identified as possible building blocks that stabilize the structure. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000306099900024 | Publication Date | 2012-06-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2041-1723; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 90 | Open Access | |
| Notes | Fwo; Iap; Iwt | Approved |
Most recent IF: 12.124; 2012 IF: 10.015 | ||
| Call Number | UA @ lucian @ c:irua:100340 | Serial | 183 | ||
| Permanent link to this record | |||||
| Author | Peelaers, H.; Partoens, B.; Peeters, F.M. | ||||
| Title | Formation and segregation energies of B and P doped and BP codoped silicon nanowires | Type | A1 Journal article | ||
| Year | 2006 | Publication | Nano letters | Abbreviated Journal | Nano Lett |
| Volume | 6 | Issue | 12 | Pages | 2781-2784 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington | Editor | ||
| Language | Wos | 000242786500026 | Publication Date | 2006-11-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1530-6984;1530-6992; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.712 | Times cited | 94 | Open Access | |
| Notes | Approved |
Most recent IF: 12.712; 2006 IF: 9.960 | |||
| Call Number | UA @ lucian @ c:irua:62381 | Serial | 1248 | ||
| Permanent link to this record | |||||
| Author | Peelaers, H.; Partoens, B.; Peeters, F.M. | ||||
| Title | Phonon band structure of Si nanowires: a stability analysis | Type | A1 Journal article | ||
| Year | 2009 | Publication | Nano letters | Abbreviated Journal | Nano Lett |
| Volume | 9 | Issue | 1 | Pages | 107-111 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We present full ab initio calculations of the phonon band structure of thin Si nanowires oriented along the [110] direction. Using these phonon dispersion relations, we investigate the structural stability of these wires. We found that all studied wires were stable also when doped with either B or P, if the unit cell was taken sufficiently large along the wire axis. The evolution of the phonon dispersion relations and of the sound velocities with respect to the wire diameters is discussed. Softening is observed for acoustic modes and hardening for optical phonon modes with increasing wire diameters. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington | Editor | ||
| Language | Wos | 000262519100020 | Publication Date | 2008-12-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1530-6984;1530-6992; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.712 | Times cited | 51 | Open Access | |
| Notes | Approved |
Most recent IF: 12.712; 2009 IF: 9.991 | |||
| Call Number | UA @ lucian @ c:irua:76022 | Serial | 2601 | ||
| Permanent link to this record | |||||
| Author | Schouteden, K.; Govaerts, K.; Debehets, J.; Thupakula, U.; Chen, T.; Li, Z.; Netsou, A.; Song, F.; Lamoen, D.; Van Haesendonck, C.; Partoens, B.; Park, K. | ||||
| Title | Annealing-Induced Bi Bilayer on Bi2Te3 Investigated via Quasi-Particle-Interference Mapping | Type | A1 Journal article | ||
| Year | 2016 | Publication | ACS nano | Abbreviated Journal | Acs Nano |
| Volume | 10 | Issue | 10 | Pages | 8778-8787 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | Topological insulators (TIs) are renowned for their exotic topological surface states (TSSs) that reside in the top atomic layers, and hence, detailed knowledge of the surface top atomic layers is of utmost importance. Here we present the remarkable morphology changes of Bi2Te3 surfaces, which have been freshly cleaved in air, upon subsequent systematic annealing in ultrahigh vacuum and the resulting effects on the local and area-averaging electronic properties of the surface states, which are investigated by combining scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and Auger electron spectroscopy (AES) experiments with density functional theory (DFT) calculations. Our findings demonstrate that the annealing induces the formation of a Bi bilayer atop the Bi2Te3 surface. The adlayer results in n-type doping, and the atomic defects act as scattering centers of the TSS electrons. We also investigated the annealing-induced Bi bilayer surface on Bi2Te3 via voltage-dependent quasi-particle-interference (QPI) mapping of the surface local density of states and via comparison with the calculated constant-energy contours and QPI patterns. We observed closed hexagonal patterns in the Fourier transform of real-space QPI maps with secondary outer spikes. DFT calculations attribute these complex QPI patterns to the appearance of a “second” cone due to the surface charge transfer between the Bi bilayer and the Bi2Te3. Annealing in ultrahigh vacuum offers a facile route for tuning of the topological properties and may yield similar results for other topological materials. | ||||
| Address | Department of Physics, Virginia Tech , Blacksburg, Virginia 24061, United States | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000384399300073 | Publication Date | 2016-09-02 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1936-0851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.942 | Times cited | 15 | Open Access | |
| Notes | The research in Leuven and Antwerp was supported by the Research FoundationFlanders (FWO, Belgium). The research in Leuven received additional support from the Flemish Concerted Research Action Program (BOF KULeuven, Project GOA/14/007) and the KULeuven Project GOA “Fundamental Challenges in Semiconductor Research”. Z.L. acknowledges the support from the China Scholarship Council (2011624021) and from KU Leuven Internal Funds (PDM). K.S. and J.D. acknowledge additional support from the FWO. T.C. and F.S. acknowledge the financial support of the National Key Projects for Basic Research of China (Grants 2013CB922103 and 2011CB922103), the National NaturalScience Foundation of China (Grant s 91421109, 11134005,11522432, and 11274003), the Natural Science Foundation ofJiangsu Province (Grant BK20130054), and the FundamentalResearch Funds for the Central Universities. K.P. wassupported by the U.S. National Science Foundation (DMR-1206354) and San Diego Supercomputer Center (SDSC)Comet and Gordon (DMR060009N). | Approved |
Most recent IF: 13.942 | ||
| Call Number | EMAT @ emat @ c:irua:136269 | Serial | 4294 | ||
| Permanent link to this record | |||||
| Author | Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. | ||||
| Title | First-principles study of CO and OH adsorption on in-doped ZnO surfaces | Type | A1 Journal article | ||
| Year | 2019 | Publication | The journal of physics and chemistry of solids | Abbreviated Journal | J Phys Chem Solids |
| Volume | 132 | Issue | Pages | 172-181 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic response upon adsorption of CO. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000472124700023 | Publication Date | 2019-04-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3697 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.059 | Times cited | 7 | Open Access | Not_Open_Access: Available from 26.04.2021 |
| Notes | FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; | Approved |
Most recent IF: 2.059 | ||
| Call Number | EMAT @ emat @UA @ admin @ c:irua:159656 | Serial | 5170 | ||
| Permanent link to this record | |||||